Spektraris NMR
3,4-Dehydroferutinin
Common Name: 3,4-Dehydroferutinin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H28O3/c1-14(2)18-10-12-22(4)11-9-15(3)13-19(20(18)22)25-21(24)16-5-7-17(23)8-6-16/h5-10,14,19-20,23H,11-13H2,1-4H3/t19-,20+,22-/m0/s1
InChIKey: InChIKey=XPJQNVBMAYFUMN-VWPQPMDRSA-N
Formula: C22H28O3
Molecular Weight: 340.456746
Exact Mass: 340.203845
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Appendino, G., Spagliardi, P., Sterner, O., Milligan, S. J Nat Prod (2004) 67, 1557-64
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Daucanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (C) | 45.8 |
| 2 (CH2) | 46.9 |
| 3 (CH) | 120.7 |
| 4 (C) | 152.9 |
| 5 (CH) | 60.7 |
| 6 (CH) | 71.8 |
| 7 (CH2) | 41.2 |
| 8 (C) | 132.4 |
| 9 (CH) | 125 |
| 10 (CH2) | 39.2 |
| 11 (CH) | 28.1 |
| 12 (CH3) | 22.7 |
| 13 (CH3) | 21.8 |
| 14 (CH3) | 26.7 |
| 15 (CH3) | 20.8 |
| 1' (C) | 122.1 |
| 2' (CH) | 131.9 |
| 3' (CH) | 115.2 |
| 4' (C) | 160.7 |
| 5' (CH) | 115.2 |
| 6' (CH) | 131.9 |
| 7' (C) | 166.6 |
